Methyl isovalerate

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Names

[ CAS No. ]:
556-24-1

[ Name ]:
Methyl isovalerate

[Synonym ]:
Butanoic acid, 3-methyl-, methyl ester
EINECS 209-117-3
Methyl 3-methylbutyrate
Isovaleric acid, methyl ester
Methyl isovalerianate
UNII-QPS4788198
Methyl 3-methylbutanoate
MFCD00042866
butanoic acid, 3-methyl, methyl ester
Methyl isopentanoate

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
116.5±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C6H12O2

[ Molecular Weight ]:
116.158

[ Flash Point ]:
19.4±8.3 °C

[ Exact Mass ]:
116.083733

[ PSA ]:
26.30000

[ LogP ]:
1.59

[ Vapour Pressure ]:
18.2±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.396

[ Water Solubility ]:
insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY1510000
CHEMICAL NAME :
Isovaleric acid, methyl ester
CAS REGISTRY NUMBER :
556-24-1
BEILSTEIN REFERENCE NO. :
1699922
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C6-H12-O2
MOLECULAR WEIGHT :
116.18
WISWESSER LINE NOTATION :
1Y1&1VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20250 mg/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,84,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5693 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
18800 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(5),61,1986 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 5 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0373 No. of Facilities: 25 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 427 (estimated) No. of Female Employees: 176 (estimated)

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225

[ Precautionary Statements ]:
P210

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F:Flammable

[ Risk Phrases ]:
R11

[ Safety Phrases ]:
S16

[ RIDADR ]:
UN 2400 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
NY1510000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2915600000

Synthetic Route

Precursor & DownStream

Precursor

  • Methyl 3-methyl-2-butenoate
  • carbon monoxide
  • Methanol
  • 3-Methylbutanoic acid
  • Ethanoic anhydride
  • 4-Methyl-2-pentanone
  • Methyl (2E)-2-butenoate
  • Methyl isopropenyl ketone

DownStream

  • 5-Isopropyl-2'-deoxyuridine (IP5dU)
  • 5-isopropyluracil
  • Isovaleramide
  • 2-methylheptan-4-one
  • 3-Methyl-1-butanol
  • Methyl 5-chloropentanoate
  • chloromethyl isobutyl carbonate
  • methyl 3-chloro-3-methylbutanoate

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%


Related Compounds

  • L-METHYL ISOVALERATE
  • (methylthio)methyl isovalerate
  • (methoxyphenyl)methyl isovalerate
  • (tetrahydro-2-furyl)methyl isovalerate
  • [octahydro-4,7-methano-1H-inden-1(or 2)-yl]methyl isovalerate
  • 3-methylpent-1-yn-3-yl 3-methylbutanoate
  • methyl (1R,4S,5S)-2-azabicyclo[2.1.1]hexane-5-carboxylate
  • rac-(1R,3R)-3-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-cyclopropyl-2-fluoropropanoate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 6-(1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 1,3-benzoxazole-5-carboxylate
  • (2S)-4-(2-bromo-3-nitrophenyl)butan-2-ol
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-(3-chlorophenyl)-2-(methylsulfanyl)acetate